Prediction of thermodynamic properties of organic mixtures: Combining molecular simulations with classical thermodynamics

Physics & Astronomy

• thermodynamic properties 87%
• thermodynamics 72%
• predictions 57%
• interactions 42%
• simulation 40%
• regression analysis 36%
• molecular structure 18%
• molecules 9%
• liquids 9%
• energy 5%

Engineering & Materials Science

• Thermodynamic properties 100%
• Thermodynamics 92%
• Molecular structure 46%
• Phase equilibria 43%
• Molecules 34%
• Liquids 23%
• Fluids 22%

Chemistry

• Thermodynamic Property 95%
• Simulation 67%
• Mixture 47%
• Phase Equilibrium 24%
• Molecular Structure 14%
• Thermodynamics 13%
• Modification 12%
• Liquid 11%
• Energy 10%
• Molecule 7%